G944-0405 Screening compound: 5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

G944-0405 Screening compound: 5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole
G944-0405 Screening compound: 5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0405
5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G944-0405

Molecular Formula

C21H20N6O (C21 H20 N6 O)

Compound Name

5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-1,2,3-benzotriazole

IUPAC name

5-{5-[2-(1H-indol-3-yl)ethyl]-124-oxadiazol-3-yl}-1-propyl-1H-123-benzotriazole

SMILES

CCCn1nnc2c1ccc(-c1noc(CCc3c[nH]c4c3cccc4)n1)c2

InChI

InChI=1S/C21H20N6O/c1-2-11-27-19-9-7-14(12-18(19)24-26-27)21-23-20(28-25-21)10-8-15-13-22-17-6-4-3-5-16(15)17/h3-7,9,12-13,22H,2,8,10-11H2,1H3

InChI Key

VVYQUIIWASLWBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.68

Polar Surface Area

66.857

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G944-0405 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G944-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0405?
Check Price and Availability of G944-0405, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G944-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0405
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G944-0405 available by request